Geometry & MOs

Info

ID:	274675
PubChem CID:	103810968
Reduced:	SN2O3C9H18 (1)
Stoich.:	AB2C3D9E18 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	6.46
IP(EA), eV:	-9.74(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyrrolidin-2-ylethanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCS(=O)(=O)CC1)N

DOS

IR

Vibrations